1-[(4-iodophenyl)methyl]-4-propylpiperazine-2,5-dione

C14H17IN2O2 — CID 79941944

IUPAC1-[(4-iodophenyl)methyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2ccc(I)cc2)CC1=O
InChIInChI=1S/C14H17IN2O2/c1-2-7-16-9-14(19)17(10-13(16)18)8-11-3-5-12(15)6-4-11/h3-6H,2,7-10H2,1H3
InChIKeyUIYLUACOOCQAOU-UHFFFAOYSA-N
MW372.21 g/mol
LogP1.87
Rot. Bonds4

About 1-[(4-iodophenyl)methyl]-4-propylpiperazine-2,5-dione

1-[(4-iodophenyl)methyl]-4-propylpiperazine-2,5-dione (PubChem CID 79941944) has the molecular formula C14H17IN2O2 and a molecular weight of 372.21 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methyl]-4-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4-iodophenyl)methyl]-4-propylpiperazine-2,5-dione
PubChem CID79941944
Molecular FormulaC14H17IN2O2
Molecular Weight372.21 g/mol
Exact Mass372.03
IUPAC Name1-[(4-iodophenyl)methyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2ccc(I)cc2)CC1=O
InChIInChI=1S/C14H17IN2O2/c1-2-7-16-9-14(19)17(10-13(16)18)8-11-3-5-12(15)6-4-11/h3-6H,2,7-10H2,1H3
InChIKeyUIYLUACOOCQAOU-UHFFFAOYSA-N
XLogP1.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

CID 885644
CID 885644
CID 82657
CID 82657
CID 219253
CID 219253
CID 5216003
CID 5216003
CID 560967
CID 560967
CID 972703
CID 972703
CID 209462
CID 209462
CID 584330
CID 584330
CID 2259642
CID 2259642
CID 742522
CID 742522
CID 773338
CID 773338
CID 848132
CID 848132

Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenyl)methyl]-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(4-iodophenyl)methyl]-4-propylpiperazine-2,5-dione (CID 79941944) is 1-[(4-iodophenyl)methyl]-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(4-iodophenyl)methyl]-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(4-iodophenyl)methyl]-4-propylpiperazine-2,5-dione is CCCN1CC(=O)N(Cc2ccc(I)cc2)CC1=O.
What is the InChIKey of 1-[(4-iodophenyl)methyl]-4-propylpiperazine-2,5-dione?
The InChIKey is UIYLUACOOCQAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN2O2/c1-2-7-16-9-14(19)17(10-13(16)18)8-11-3-5-12(15)6-4-11/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-[(4-iodophenyl)methyl]-4-propylpiperazine-2,5-dione?
1-[(4-iodophenyl)methyl]-4-propylpiperazine-2,5-dione has a molecular weight of 372.21 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)methyl]-4-propylpiperazine-2,5-dione is sourced from PubChem (CID 79941944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).